Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model
In this study, 10 novel anti-inflammatory peptides were identified from duck liver, and their molecular mechanism was demonstrated based on machine learning and molecular docking. Using Sephadex G-15 gel chromatography separation, reversed-phase high-performance liquid chromatography purification, l...
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| Format: | Article |
| Language: | English |
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Tsinghua University Press
2024-11-01
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| Series: | Food Science and Human Wellness |
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| Online Access: | https://www.sciopen.com/article/10.26599/FSHW.2023.9250041 |
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| author | Xiankang Fan Laidi Zhang Yangying Sun Changyu Zhou Qiang Xia Lihui Du Zhen Wu Daodong Pan |
| author_facet | Xiankang Fan Laidi Zhang Yangying Sun Changyu Zhou Qiang Xia Lihui Du Zhen Wu Daodong Pan |
| author_sort | Xiankang Fan |
| collection | DOAJ |
| description | In this study, 10 novel anti-inflammatory peptides were identified from duck liver, and their molecular mechanism was demonstrated based on machine learning and molecular docking. Using Sephadex G-15 gel chromatography separation, reversed-phase high-performance liquid chromatography purification, liquid chromatography-tandem mass spectrometry identification, and BIOPEP database comparison, 10 novel anti-inflammatory peptides were initially found. Their splendid angiotensin-converting enzyme (ACE) inhibition and anti-inflammatory properties were confirmed by machine learning. With binding energies less than –20.93 kJ/mol, molecular docking revealed that they could efficiently bind to the active pockets of tumor necrosis factor α (TNF-α), interleukin 6 (IL-6), cyclooxygenase 2 (COX-2), and nuclear factor κB (NF-κB) proteins with efficiency, indicating that the compounds can spontaneously form complexes through hydrogen bonding and hydrophobic interactions with the protein binding pockets. In the lipopolysaccharide-induced RAW264.7 cell model, the release of NO, TNF-α, and IL-6 and the mRNA expression of inflammatory factors (TNF-α, IL-6, COX-2, and NF-κB) were significantly inhibited by these peptides. We concluded it might be due to their anti-inflammatory effects by inhibiting the protein phosphorylation of inhibitor of NF-κB (IκBα) in the cytoplasm and preventing the translocation of NF-κB p65 in the cytoplasm to the nucleus, thereby regulating the NF-κB signaling pathway. This study is essential for the screening of anti-inflammatory peptides and the investigation of the mechanism of action. |
| format | Article |
| id | doaj-art-42f1acdeeace45489d2dc0b46da755ac |
| institution | Kabale University |
| issn | 2097-0765 2213-4530 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Tsinghua University Press |
| record_format | Article |
| series | Food Science and Human Wellness |
| spelling | doaj-art-42f1acdeeace45489d2dc0b46da755ac2025-01-10T06:57:02ZengTsinghua University PressFood Science and Human Wellness2097-07652213-45302024-11-011363595360510.26599/FSHW.2023.9250041Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell modelXiankang Fan0Laidi Zhang1Yangying Sun2Changyu Zhou3Qiang Xia4Lihui Du5Zhen Wu6Daodong Pan7State Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaState Key Laboratory for Managing Biotic and Chemical Threats to the Quality and Safety of Agro-products, Ningbo University, Ningbo 315211, ChinaIn this study, 10 novel anti-inflammatory peptides were identified from duck liver, and their molecular mechanism was demonstrated based on machine learning and molecular docking. Using Sephadex G-15 gel chromatography separation, reversed-phase high-performance liquid chromatography purification, liquid chromatography-tandem mass spectrometry identification, and BIOPEP database comparison, 10 novel anti-inflammatory peptides were initially found. Their splendid angiotensin-converting enzyme (ACE) inhibition and anti-inflammatory properties were confirmed by machine learning. With binding energies less than –20.93 kJ/mol, molecular docking revealed that they could efficiently bind to the active pockets of tumor necrosis factor α (TNF-α), interleukin 6 (IL-6), cyclooxygenase 2 (COX-2), and nuclear factor κB (NF-κB) proteins with efficiency, indicating that the compounds can spontaneously form complexes through hydrogen bonding and hydrophobic interactions with the protein binding pockets. In the lipopolysaccharide-induced RAW264.7 cell model, the release of NO, TNF-α, and IL-6 and the mRNA expression of inflammatory factors (TNF-α, IL-6, COX-2, and NF-κB) were significantly inhibited by these peptides. We concluded it might be due to their anti-inflammatory effects by inhibiting the protein phosphorylation of inhibitor of NF-κB (IκBα) in the cytoplasm and preventing the translocation of NF-κB p65 in the cytoplasm to the nucleus, thereby regulating the NF-κB signaling pathway. This study is essential for the screening of anti-inflammatory peptides and the investigation of the mechanism of action.https://www.sciopen.com/article/10.26599/FSHW.2023.9250041peptidesmachine learningmolecular dockinginflammationliquid chromatography-tandem mass spectrometry |
| spellingShingle | Xiankang Fan Laidi Zhang Yangying Sun Changyu Zhou Qiang Xia Lihui Du Zhen Wu Daodong Pan Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model Food Science and Human Wellness peptides machine learning molecular docking inflammation liquid chromatography-tandem mass spectrometry |
| title | Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model |
| title_full | Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model |
| title_fullStr | Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model |
| title_full_unstemmed | Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model |
| title_short | Identification and the molecular mechanism of novel duck liver-derived anti-inflammatory peptides in lipopolysaccharide-induced RAW264.7 cell model |
| title_sort | identification and the molecular mechanism of novel duck liver derived anti inflammatory peptides in lipopolysaccharide induced raw264 7 cell model |
| topic | peptides machine learning molecular docking inflammation liquid chromatography-tandem mass spectrometry |
| url | https://www.sciopen.com/article/10.26599/FSHW.2023.9250041 |
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